N,N-Dimethyl-1H-imidazole-1-sulfonamide

HCID 395751CAS 78162-58-0

기본 정보

표준 SMILES: CN(C)S(=O)(=O)n1ccnc1
InChIKey: YRRWNBMOJMMXQY-UHFFFAOYSA-N
분자식: C5H9N3O2S
평균 분자량: 175.21 g/mol
단동위원소 질량: 175.04154753

이름 및 식별자

우선 이름: N,N-Dimethyl-1H-imidazole-1-sulfonamide
IUPAC: N,N-dimethylimidazole-1-sulfonamide
영어명: Imidazole-1-sulfonic acid dimethyl amine
분자식: C5H9N3O2S
분자량: 175.21

이름 및 동의어

78162-58-0N,N-Dimethyl-1H-imidazole-1-sulfonamideDTXSID20327908RefChem:822396DTXCID20279019626-723-7N,N-dimethylimidazole-1-sulfonamide1-(Dimethylsulfamoyl)imidazoleN,N-Dimethyl imidazole-1-sulfonamideImidazole-1-sulfonic acid dimethyl amineMFCD009557131-(n,n-dimethylsulfamoyl)-1h-imidazole

이름 더 보기

Dexmedetomidine Impurity 271-(Dimethylsulfamoyl)-1H-imidazoleN,N-dimethylimidazol-1-sulfonamide1-(Dimethylsulphamoyl)-1H-imidazoleN,N-Dimethyl-1H-imidazol-1-sulfonamide

1H-IMIDAZOLE-1-SULFONAMIDE, N,N-DIMETHYL-Imidazole-1-sulfonic acid dimethylamide1-(dimethylaminosulfonyl)-imidazole1-(N,N-dimethylsulfamoyl)imidazoleN,N-Dimethyl-imidazole-1-sulfonamideN,N-dimethyl imidazole-1-sulphonamide1-(N,N-Dimethylsulfamoyl)imidazole; Imidazole-1-sulfonic Acid Dimethylamide; N,N-Dimethyl-1H-imidazole-1-sulfonamide; N,N-Dimethylsulfamoyl-1H-imidazole; NSC 700551NSC700551

데이터베이스 식별자

CAS: 78162-58-0
PubChem CID: 395751
DTXSID: DTXSID20327908
ChEMBL: CHEMBL1479124
EC Number: 626-723-7
Nikkaji: J2.110.751D

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 48 · 48-51 °C (lit.)
끓는 점: 83 · 83-87 °C(Press: 0.6 Torr)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
인화점: 230 °F · 230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.41 · 2.41±0.10(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3
InChIKey: YRRWNBMOJMMXQY-UHFFFAOYSA-N
SMILES: C1N(S(N(C)C)(=O)=O)C=CN=1

화학적 성질

IMIDAZOLE-1-SULFONIC ACID DIMETHYL AMINE is Yellow Semi-Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
HS 번호: 2933299090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도IMIDAZOLE-1-SULFONIC ACID DIMETHYL AMINE is an Imidazole (I350200) derivative, used in the preparation of Histamine H3 Receptor Agonists and druglike angiotensin II compounds with affinity for the AT2 r eceptor.

일반 설명1-(Dimethylsulfamoyl)imidazole is an imidazole derivative.